CID 5484079

24069-55-4

Structural Information

Molecular Formula
C14H8N2O6
SMILES
C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)O)[N+](=O)[O-])O
InChI
InChI=1S/C14H8N2O6/c15-5-1-3-7(17)11-9(5)13(19)10-6(16(21)22)2-4-8(18)12(10)14(11)20/h1-4,17-18H,15H2
InChIKey
XHTBQEDDFNUDSX-UHFFFAOYSA-N
Compound name
1-amino-4,5-dihydroxy-8-nitroanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

300.03824 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.04552 160.5
[M+Na]+ 323.02746 173.8
[M+NH4]+ 318.07206 166.9
[M+K]+ 339.00140 171.8
[M-H]- 299.03096 163.3
[M+Na-2H]- 321.01291 163.3
[M]+ 300.03769 162.8
[M]- 300.03879 162.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe